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N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide Structure

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide

Chemical Properties

Melting point 250 °C (decomp)
Boiling point 497.4±55.0 °C(Predicted)
Density  1.31±0.1 g/cm3(Predicted)
storage temp.  2-8°C, protect from light, stored under nitrogen
pka 8.97±0.20(Predicted)
form  powder
Appearance White to off-white Solid
optical activity [α]/D -42.0±2.0°, c = 1 in DMSO
InChI 1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1
InChIKey JRSCPJJNZMRAQS-IAGOWNOFSA-N
SMILES C1(=O)C(NC2=CC=C(C(F)(F)F)C=C2)=C(N[C@@H]2CCCC[C@H]2N2CCCCC2)C1=O

Safety Information

Hazard Codes  C
Risk Statements  37/38-41
Safety Statements  26-39
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3

Usage And Synthesis

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoroMethyl)phenyl]squaraMide Supplier